3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate

C14H16O5 — CID 613644

IUPAC3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate
SMILESCOc1cc(C=CCOC(C)=O)ccc1OC(C)=O
InChIInChI=1S/C14H16O5/c1-10(15)18-8-4-5-12-6-7-13(19-11(2)16)14(9-12)17-3/h4-7,9H,8H2,1-3H3
InChIKeyKCODNVFFXXYJPA-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.20
Rot. Bonds5

About 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate

3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate (PubChem CID 613644) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate.

Molecular Properties

Compound Name3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate
PubChem CID613644
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate
SMILESCOc1cc(C=CCOC(C)=O)ccc1OC(C)=O
InChIInChI=1S/C14H16O5/c1-10(15)18-8-4-5-12-6-7-13(19-11(2)16)14(9-12)17-3/h4-7,9H,8H2,1-3H3
InChIKeyKCODNVFFXXYJPA-UHFFFAOYSA-N
XLogP2.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
3-[4-[2-acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenoxy]-3-methoxyphenyl]prop-2-enyl acetate
CID 162915010
3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate
CID 162966956
3-[4-acetyloxy-3-[2-acetyloxy-5-(3-acetyloxyprop-1-enyl)-3-methoxyphenyl]-5-methoxyphenyl]prop-2-enyl acetate
CID 163044614
[(E)-3-(4-butanoyloxy-3-methoxyphenyl)prop-2-enyl] butanoate
CID 86574372
[(E)-3-[2-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enyl] acetate
CID 101073259
[2-methoxy-4-[(E)-4-nitropent-1-enyl]phenyl] acetate
CID 13436227
[4-[(E)-3-chloro-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
CID 10858041
[(E)-3-(4-heptanoyloxy-3-methoxyphenyl)prop-2-enyl] heptanoate
CID 86574393
[4-(hydroxyiminomethyl)-2-methoxyphenyl] acetate
CID 4619738
[4-[(E,3E)-3-hydroxyiminoprop-1-enyl]-2-methoxyphenyl] acetate
CID 14578558
[4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2-methoxyphenyl] acetate
CID 11264939

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate?
The IUPAC name of 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate (CID 613644) is 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate.
What is the SMILES notation for 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate?
The canonical SMILES for 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate is COc1cc(C=CCOC(C)=O)ccc1OC(C)=O.
What is the InChIKey of 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate?
The InChIKey is KCODNVFFXXYJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-10(15)18-8-4-5-12-6-7-13(19-11(2)16)14(9-12)17-3/h4-7,9H,8H2,1-3H3.
What are the key properties of 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate?
3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate has a molecular weight of 264.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl acetate is sourced from PubChem (CID 613644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).